4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one

C14H22N2O2 — CID 143999935

IUPAC4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one
SMILESC/C=C(\C=C/C(N)=C(/C)CC)N1CCOCC1=O
InChIInChI=1S/C14H22N2O2/c1-4-11(3)13(15)7-6-12(5-2)16-8-9-18-10-14(16)17/h5-7H,4,8-10,15H2,1-3H3/b7-6-,12-5+,13-11+
InChIKeyQKUYXMSOGWKZGE-LSDDXAIDSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds4

About 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one

4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one (PubChem CID 143999935) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one
PubChem CID143999935
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one
SMILESC/C=C(\C=C/C(N)=C(/C)CC)N1CCOCC1=O
InChIInChI=1S/C14H22N2O2/c1-4-11(3)13(15)7-6-12(5-2)16-8-9-18-10-14(16)17/h5-7H,4,8-10,15H2,1-3H3/b7-6-,12-5+,13-11+
InChIKeyQKUYXMSOGWKZGE-LSDDXAIDSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one?
The IUPAC name of 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one (CID 143999935) is 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one.
What is the SMILES notation for 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one?
The canonical SMILES for 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one is C/C=C(\C=C/C(N)=C(/C)CC)N1CCOCC1=O.
What is the InChIKey of 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one?
The InChIKey is QKUYXMSOGWKZGE-LSDDXAIDSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(3)13(15)7-6-12(5-2)16-8-9-18-10-14(16)17/h5-7H,4,8-10,15H2,1-3H3/b7-6-,12-5+,13-11+.
What are the key properties of 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one?
4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one has a molecular weight of 250.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z,6E)-6-amino-7-methylnona-2,4,6-trien-3-yl]morpholin-3-one is sourced from PubChem (CID 143999935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).